3S1R
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![BU of 3s1r by Molmil](/molmil-images/mine/3s1r) | RNA Polymerase II Initiation Complex with a 5-nt 3'-deoxy RNA soaked with GTP | Descriptor: | DNA (5'-D(*CP*TP*AP*CP*CP*GP*AP*TP*AP*AP*GP*CP*AP*GP*AP*CP*GP*AP*TP*CP*CP*TP*CP*TP*CP*GP*AP*TP*G)-3'), DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, ... | Authors: | Liu, X, Bushnell, D.A, Silva, D.A, Huang, X, Kornberg, R.D. | Deposit date: | 2011-05-16 | Release date: | 2011-08-10 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Initiation complex structure and promoter proofreading. Science, 333, 2011
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3S16
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![BU of 3s16 by Molmil](/molmil-images/mine/3s16) | RNA Polymerase II Initiation Complex with an 8-nt RNA | Descriptor: | DNA (5'-D(*CP*TP*AP*CP*CP*GP*AP*TP*AP*AP*GP*CP*AP*GP*AP*CP*GP*AP*TP*CP*CP*TP*CP*TP*CP*GP*AP*TP*G)-3'), DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, ... | Authors: | Liu, X, Bushnell, D.A, Silva, D.A, Huang, X, Kornberg, R.D. | Deposit date: | 2011-05-14 | Release date: | 2011-08-10 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.241 Å) | Cite: | Initiation complex structure and promoter proofreading. Science, 333, 2011
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3S14
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![BU of 3s14 by Molmil](/molmil-images/mine/3s14) | RNA Polymerase II Initiation Complex with a 6-nt RNA | Descriptor: | DNA (5'-D(*CP*TP*AP*CP*CP*GP*AP*TP*AP*AP*GP*CP*AP*GP*AP*CP*GP*AP*TP*CP*CP*TP*CP*TP*CP*GP*AP*TP*G)-3'), DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, ... | Authors: | Liu, X, Bushnell, D.A, Silva, D.A, Huang, X, Kornberg, R.D. | Deposit date: | 2011-05-14 | Release date: | 2011-08-10 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Initiation complex structure and promoter proofreading. Science, 333, 2011
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3S1N
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![BU of 3s1n by Molmil](/molmil-images/mine/3s1n) | RNA Polymerase II Initiation Complex with a 5-nt RNA (variant 2) | Descriptor: | DNA (5'-D(*CP*TP*AP*CP*CP*GP*AP*TP*AP*AP*GP*CP*AP*GP*AP*CP*GP*AP*TP*GP*CP*TP*CP*TP*CP*GP*AP*TP*G)-3'), DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, ... | Authors: | Liu, X, Bushnell, D.A, Silva, D.A, Huang, X, Kornberg, R.D. | Deposit date: | 2011-05-15 | Release date: | 2011-08-10 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Initiation complex structure and promoter proofreading. Science, 333, 2011
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9AXC
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![BU of 9axc by Molmil](/molmil-images/mine/9axc) | Activated CRAF/MEK heterotetramer from focused refinement of CRAF/MEK/14-3-3 complex | Descriptor: | Dual specificity mitogen-activated protein kinase kinase 1, GST26/CRAF chimera, N-[3-fluoro-4-({7-[(3-fluoropyridin-2-yl)oxy]-4-methyl-2-oxo-2H-1-benzopyran-3-yl}methyl)pyridin-2-yl]-N'-methylsulfuric diamide | Authors: | Quade, B, Cohen, S.E, Huang, X. | Deposit date: | 2024-03-06 | Release date: | 2024-04-17 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (4.16 Å) | Cite: | The Pan-RAF-MEK Nondegrading Molecular Glue NST-628 Is a Potent and Brain-Penetrant Inhibitor of the RAS-MAPK Pathway with Activity across Diverse RAS- and RAF-Driven Cancers. Cancer Discov, 14, 2024
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7F7I
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![BU of 7f7i by Molmil](/molmil-images/mine/7f7i) | Stapled Peptide Inhibitor in complex with PSD95 GK domain | Descriptor: | ACE-ARG-ILE-ARG-ARG-ASP-GLU-TYR-LEU-LYZ-ALA-ILE-GLN-NH2, Disks large homolog 4 | Authors: | Shang, Y, Huang, X, Li, X, Zhang, M. | Deposit date: | 2021-06-29 | Release date: | 2022-04-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.595 Å) | Cite: | Entropy of stapled peptide inhibitors in free state is the major contributor to the improvement of binding affinity with the GK domain. Rsc Chem Biol, 2, 2021
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9AXA
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![BU of 9axa by Molmil](/molmil-images/mine/9axa) | CryoEM structure of activated CRAF/MEK/14-3-3 complex with NST-628 | Descriptor: | 14-3-3 protein sigma, Dual specificity mitogen-activated protein kinase kinase 1, GST26/CRAF chimera, ... | Authors: | Quade, B, Cohen, S.E, Huang, X. | Deposit date: | 2024-03-06 | Release date: | 2024-04-17 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (4.36 Å) | Cite: | The Pan-RAF-MEK Nondegrading Molecular Glue NST-628 Is a Potent and Brain-Penetrant Inhibitor of the RAS-MAPK Pathway with Activity across Diverse RAS- and RAF-Driven Cancers. Cancer Discov, 14, 2024
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4NLH
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![BU of 4nlh by Molmil](/molmil-images/mine/4nlh) | |
4OUH
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![BU of 4ouh by Molmil](/molmil-images/mine/4ouh) | |
4GID
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![BU of 4gid by Molmil](/molmil-images/mine/4gid) | Structure of beta-secretase complexed with inhibitor | Descriptor: | Beta-secretase 1, L-PROLINAMIDE, N-[(2S)-1-({(2S,3R)-3-hydroxy-1-[(2-methylpropyl)amino]-1-oxobutan-2-yl}amino)-3-phenylpropan-2-yl]-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide | Authors: | Ghosh, A, Tang, J, Venkateswara, R.K, Yadav, N, Anderson, D, Gavande, N, Huang, X, Terzyan, S. | Deposit date: | 2012-08-08 | Release date: | 2012-10-10 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-based design of highly selective beta-secretase inhibitors: synthesis, biological evaluation, and protein-ligand X-ray crystal structure. J.Med.Chem., 55, 2012
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1HX4
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![BU of 1hx4 by Molmil](/molmil-images/mine/1hx4) | MOLECULAR TOPOLOGY OF POLYCYCLIC AROMATIC CARCINOGENS DETERMINES DNA ADDUCT CONFORMATION: A LINK TO TUMORIGENIC ACTIVITY | Descriptor: | (1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-2,3,4-TRIOL, 5'-D(*CP*CP*AP*TP*CP*GP*CP*TP*AP*CP*C)-3', 5'-D(*GP*GP*TP*AP*GP*CP*GP*AP*TP*GP*G)-3' | Authors: | Patel, D.J, Lin, C.H, Geacintov, N.E, Broyde, S, Huang, X, Kolbanovskii, A, Hingerty, B.E, Amin, S. | Deposit date: | 2001-01-11 | Release date: | 2001-03-21 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Molecular topology of polycyclic aromatic carcinogens determines DNA adduct conformation: a link to tumorigenic activity. J.Mol.Biol., 306, 2001
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1Y9H
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![BU of 1y9h by Molmil](/molmil-images/mine/1y9h) | Methylation of cytosine at C5 in a CpG sequence context causes a conformational switch of a benzo[a]pyrene diol epoxide-N2-guanine adduct in DNA from a minor groove alignment to intercalation with base displacement | Descriptor: | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE, 5'-D(*CP*CP*AP*TP*(5CM)P*(BPG)P*CP*TP*AP*CP*C)-3', 5'-D(*GP*GP*TP*AP*GP*CP*GP*AP*TP*GP*G)-3' | Authors: | Zhang, N, Lin, C, Huang, X, Kolbanovskiy, A, Hingerty, B.E, Amin, S, Broyde, S, Geacintov, N.E, Patel, D.J. | Deposit date: | 2004-12-15 | Release date: | 2005-03-22 | Last modified: | 2024-04-24 | Method: | SOLUTION NMR | Cite: | Methylation of cytosine at C5 in a CpG sequence context causes a conformational switch of a benzo[a]pyrene diol epoxide-N2-guanine adduct in DNA from a minor groove alignment to intercalation with base displacement. J.Mol.Biol., 346, 2005
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1HWV
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![BU of 1hwv by Molmil](/molmil-images/mine/1hwv) | MOLECULAR TOPOLOGY OF POLYCYCLIC AROMATIC CARCINOGENS DETERMINES DNA ADDUCT CONFORMATION: A LINK TO TUMORIGENIC ACTIVITY | Descriptor: | (1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-2,3,4-TRIOL, 5'-D(*CP*CP*AP*TP*CP*GP*CP*TP*AP*CP*C)-3', 5'-D(*GP*GP*TP*AP*GP*CP*GP*AP*TP*GP*G)-3' | Authors: | Patel, D.J, Lin, C.H, Geacintov, N.E, Broyde, S, Huang, X, Kolbanovskii, A, Hingerty, B.E, Amin, S. | Deposit date: | 2001-01-10 | Release date: | 2001-03-21 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Molecular topology of polycyclic aromatic carcinogens determines DNA adduct conformation: a link to tumorigenic activity. J.Mol.Biol., 306, 2001
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3IZ3
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![BU of 3iz3 by Molmil](/molmil-images/mine/3iz3) | CryoEM structure of cytoplasmic polyhedrosis virus | Descriptor: | Structural protein VP1, Structural protein VP3, Viral structural protein 5 | Authors: | Cheng, L, Sun, J, Zhang, K, Mou, Z, Huang, X, Ji, G, Sun, F, Zhang, J, Zhu, P. | Deposit date: | 2010-09-14 | Release date: | 2011-03-16 | Last modified: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Atomic model of a cypovirus built from cryo-EM structure provides insight into the mechanism of mRNA capping. Proc.Natl.Acad.Sci.USA, 108, 2011
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4IB4
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![BU of 4ib4 by Molmil](/molmil-images/mine/4ib4) | Crystal structure of the chimeric protein of 5-HT2B-BRIL in complex with ergotamine | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CHOLESTEROL, ... | Authors: | Wacker, D, Wang, C, Katritch, V, Han, G.W, Huang, X, Vardy, E, McCorvy, J.D, Jiang, Y, Chu, M, Siu, F.Y, Liu, W, Xu, H.E, Cherezov, V, Roth, B.L, Stevens, R.C, GPCR Network (GPCR) | Deposit date: | 2012-12-07 | Release date: | 2013-03-13 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural features for functional selectivity at serotonin receptors. Science, 340, 2013
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4E57
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![BU of 4e57 by Molmil](/molmil-images/mine/4e57) | |
1F5X
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![BU of 1f5x by Molmil](/molmil-images/mine/1f5x) | NMR STRUCTURE OF THE Y174 AUTOINHIBITED DBL HOMOLOGY DOMAIN | Descriptor: | RHO-GEF VAV | Authors: | Aghazadeh, B, Rosen, M.K, Lowry, W.E, Huang, X.Y. | Deposit date: | 2000-06-18 | Release date: | 2000-09-15 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Structural basis for relief of autoinhibition of the Dbl homology domain of proto-oncogene Vav by tyrosine phosphorylation. Cell(Cambridge,Mass.), 102, 2000
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3OT1
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![BU of 3ot1 by Molmil](/molmil-images/mine/3ot1) | Crystal structure of VC2308 protein | Descriptor: | 4-methyl-5(B-hydroxyethyl)-thiazole monophosphate biosynthesis enzyme, CHLORIDE ION, SODIUM ION | Authors: | Niedzialkowska, E, Wawrzak, Z, Chruszcz, M, Porebski, P, Skarina, T, Huang, X, Grimshaw, S, Cymborowski, M, Savchenko, A, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2010-09-10 | Release date: | 2010-09-22 | Last modified: | 2022-04-13 | Method: | X-RAY DIFFRACTION (1.16 Å) | Cite: | Crystal structure of VC2308 protein To be Published
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4EA3
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![BU of 4ea3 by Molmil](/molmil-images/mine/4ea3) | Structure of the N/OFQ Opioid Receptor in Complex with a Peptide Mimetic | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1-benzyl-N-[3-(1'H,3H-spiro[2-benzofuran-1,4'-piperidin]-1'-yl)propyl]-D-prolinamide, ... | Authors: | Thompson, A.A, Liu, W, Chun, E, Katritch, V, Wu, H, Vardy, E, Huang, X.P, Trapella, C, Guerrini, R, Calo, G, Roth, B.L, Cherezov, V, Stevens, R.C, GPCR Network (GPCR) | Deposit date: | 2012-03-22 | Release date: | 2012-04-25 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.013 Å) | Cite: | Structure of the nociceptin/orphanin FQ receptor in complex with a peptide mimetic. Nature, 485, 2012
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7EN0
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![BU of 7en0 by Molmil](/molmil-images/mine/7en0) | Structure and Activity of SLAC1 Channels for Stomatal Signaling in Leaves | Descriptor: | DIUNDECYL PHOSPHATIDYL CHOLINE, SLow Anion Channel 1, SPHINGOSINE | Authors: | Deng, Y, Kashtoh, H, Wang, Q, Zhen, G, Li, Q, Tang, L, Gao, H, Zhang, C, Qin, L, Su, M, Li, F, Huang, X, Wang, Y, Xie, Q, Clarke, O.B, Hendrickson, W.A, Chen, Y. | Deposit date: | 2021-04-15 | Release date: | 2021-05-19 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (2.97 Å) | Cite: | Structure and activity of SLAC1 channels for stomatal signaling in leaves. Proc.Natl.Acad.Sci.USA, 118, 2021
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7EGL
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![BU of 7egl by Molmil](/molmil-images/mine/7egl) | Bicarbonate transporter complex SbtA-SbtB bound to HCO3- | Descriptor: | BICARBONATE ION, Membrane-associated protein SbtB, SODIUM ION, ... | Authors: | Fang, S, Huang, X, Zhang, X, Zhang, P. | Deposit date: | 2021-03-24 | Release date: | 2021-05-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Molecular mechanism underlying transport and allosteric inhibition of bicarbonate transporter SbtA. Proc.Natl.Acad.Sci.USA, 118, 2021
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6B73
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![BU of 6b73 by Molmil](/molmil-images/mine/6b73) | Crystal Structure of a nanobody-stabilized active state of the kappa-opioid receptor | Descriptor: | CHOLESTEROL, N-[(5alpha,6beta)-17-(cyclopropylmethyl)-3-hydroxy-7,8-didehydro-4,5-epoxymorphinan-6-yl]-3-iodobenzamide, Nanobody, ... | Authors: | Che, T, Majumdar, S, Zaidi, S.A, Kormos, C, McCorvy, J.D, Wang, S, Mosier, P.D, Uprety, R, Vardy, E, Krumm, B.E, Han, G.W, Lee, M.Y, Pardon, E, Steyaert, J, Huang, X.P, Strachan, R.T, Tribo, A.R, Pasternak, G.W, Carroll, I.F, Stevens, R.C, Cherezov, V, Katritch, V, Wacker, D, Roth, B.L. | Deposit date: | 2017-10-03 | Release date: | 2018-01-17 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structure of the Nanobody-Stabilized Active State of the Kappa Opioid Receptor. Cell, 172, 2018
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3J6Q
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![BU of 3j6q by Molmil](/molmil-images/mine/3j6q) | Identification of the active sites in the methyltransferases of a transcribing dsRNA virus | Descriptor: | S-ADENOSYL-L-HOMOCYSTEINE, Structural protein VP3 | Authors: | Zhu, B, Yang, C, Liu, H, Cheng, L, Song, F, Zeng, S, Huang, X, Ji, G, Zhu, P. | Deposit date: | 2014-03-20 | Release date: | 2014-10-08 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Identification of the active sites in the methyltransferases of a transcribing dsRNA virus. J.Mol.Biol., 426, 2014
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7EJH
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![BU of 7ejh by Molmil](/molmil-images/mine/7ejh) | Crystal structure of KRED mutant-F147L/L153Q/Y190P/L199A/M205F/M206F and 2-hydroxyisoindoline-1,3-dione complex | Descriptor: | 2-oxidanylisoindole-1,3-dione, 3-alpha-(Or 20-beta)-hydroxysteroid dehydrogenase, MAGNESIUM ION, ... | Authors: | Cui, J, Huang, X, Wang, B, Zhao, H, Zhou, J. | Deposit date: | 2021-04-02 | Release date: | 2022-05-11 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.72883928 Å) | Cite: | Photoinduced chemomimetic biocatalysis for enantioselective intermolecular radical conjugate addition Nat Catal, 2022
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7EJJ
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![BU of 7ejj by Molmil](/molmil-images/mine/7ejj) | Crystal structure of KRED F147L/L153Q/Y190P variant and methyl methacrylate complex | Descriptor: | 3-alpha-(Or 20-beta)-hydroxysteroid dehydrogenase, MAGNESIUM ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Cui, J, Huang, X, Wang, B, Zhao, H, Zhou, J. | Deposit date: | 2021-04-02 | Release date: | 2022-05-11 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.80000663 Å) | Cite: | Photoinduced chemomimetic biocatalysis for enantioselective intermolecular radical conjugate addition Nat Catal, 2022
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